9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C74H72B3BrN2O6 — CID 157362966

About 9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 157362966) has the molecular formula C74H72B3BrN2O6 and a molecular weight of 1197.74 g/mol. Its IUPAC name is 9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 157362966
• Molecular Formula: C74H72B3BrN2O6
• Molecular Weight: 1197.74 g/mol
• Exact Mass: 1196.49
• IUPAC Name: 9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c3ccccc23)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)cc2)OC1(C)C
• InChI: InChI=1S/C34H30BNO2.C28H18BrN.C12H24B2O4/c1-33(2)34(3,4)38-35(37-33)24-19-17-23(18-20-24)25-21-22-32(27-12-6-5-11-26(25)27)36-30-15-9-7-13-28(30)29-14-8-10-16-31(29)36;29-20-15-13-19(14-16-20)21-17-18-28(23-8-2-1-7-22(21)23)30-26-11-5-3-9-24(26)25-10-4-6-12-27(25)30;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-22H,1-4H3;1-18H;1-8H3
• InChIKey: BIVVELGMVGYIPY-UHFFFAOYSA-N
• XLogP: 18.52
• TPSA: 65.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.74
LogP ≤ 5	18.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 157362966) is 9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c3ccccc23)cc1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)c4ccccc34)cc2)OC1(C)C.

What is the InChIKey of 9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is BIVVELGMVGYIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30BNO2.C28H18BrN.C12H24B2O4/c1-33(2)34(3,4)38-35(37-33)24-19-17-23(18-20-24)25-21-22-32(27-12-6-5-11-26(25)27)36-30-15-9-7-13-28(30)29-14-8-10-16-31(29)36;29-20-15-13-19(14-16-20)21-17-18-28(23-8-2-1-7-22(21)23)30-26-11-5-3-9-24(26)25-10-4-6-12-27(25)30;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h5-22H,1-4H3;1-18H;1-8H3.

What are the key properties of 9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1197.74 g/mol, XLogP of 18.52, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-bromophenyl)naphthalen-1-yl]carbazole;9-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]naphthalen-1-yl]carbazole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 157362966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).